Compound Detail
CHEMBL523959
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CC(=O)O[C@H]1C=C2c3cc4c(cc3C(=O)N[C@H]2[C@@H]2OC(C)(C)O[C@@H]21)OCO4
Basic Information
| ChEMBL ID | CHEMBL523959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXOZXUZBLVUNNB-HZMVEIRTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
1.38
ALogP
7
HBA
1
HBD
92.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.2 | 4.2 | 63000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 63000.0 | nM | 4.2 | Antiviral activity against Hepatitis C virus infected in human Huh7.5 cells afte... | 23511018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16441059 | 10.1021/np058068l | P388 | 1 |
| 23511018 | 10.1016/j.bmcl.2013.02.089 | Unchecked | 1 |
| 23511018 | 10.1016/j.bmcl.2013.02.089 | Hepatitis C virus | 1 |
| 23511018 | 10.1016/j.bmcl.2013.02.089 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine